N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide

C16H27N3O5S2 — CID 118541883

IUPACN-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(CCN2CC(NS(C)(=O)=O)CC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C16H27N3O5S2/c1-24-16-6-4-5-13(9-16)7-8-19-11-14(17-25(2,20)21)10-15(12-19)18-26(3,22)23/h4-6,9,14-15,17-18H,7-8,10-12H2,1-3H3
InChIKeyYEDVFSOWYMFIFQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP-0.22
Rot. Bonds8

About N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide

N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 118541883) has the molecular formula C16H27N3O5S2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
PubChem CID118541883
Molecular FormulaC16H27N3O5S2
Molecular Weight405.54 g/mol
Exact Mass405.14
IUPAC NameN-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(CCN2CC(NS(C)(=O)=O)CC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C16H27N3O5S2/c1-24-16-6-4-5-13(9-16)7-8-19-11-14(17-25(2,20)21)10-15(12-19)18-26(3,22)23/h4-6,9,14-15,17-18H,7-8,10-12H2,1-3H3
InChIKeyYEDVFSOWYMFIFQ-UHFFFAOYSA-N
XLogP-0.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzylsulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412395
tert-butyl N-[(3R,5S)-5-amino-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]carbamate
CID 118550603
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412373
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
N-[1-[4-(3-methoxyphenyl)but-3-enyl]piperidin-4-yl]methanesulfonamide
CID 127264736
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide (CID 118541883) is N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide is COc1cccc(CCN2CC(NS(C)(=O)=O)CC(NS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is YEDVFSOWYMFIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S2/c1-24-16-6-4-5-13(9-16)7-8-19-11-14(17-25(2,20)21)10-15(12-19)18-26(3,22)23/h4-6,9,14-15,17-18H,7-8,10-12H2,1-3H3.
What are the key properties of N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 405.54 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 118541883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).